ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-methyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate

Systemtic Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-methyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxy-phenyl]sulfamoyl]ethanoate Openeye Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)allyl]-[3-methyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetate CAS Name: 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-methyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidinyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(3-carbamimidoylphenyl)prop-2-enyl]-[3-methyl-4-[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)piperidin-4-yl]oxyphenyl]sulfamoyl]acetate Traditional Name: 2-[[(E)-3-(3-amidinophenyl)allyl]-[3-methyl-4-[[1-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-4-piperidyl]oxy]phenyl]sulfamoyl]acetic acid ethyl ester Formula: C32H43N5O5S MolecularWeight: 609.77932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)N(CC=CC1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCCCC4)C

Isomeric SMILES

CCOC(=O)CS(=O)(=O)N(C/C=C/C1=CC(=CC=C1)C(=N)N)C2=CC(=C(C=C2)OC3CCN(CC3)C4=NCCCCC4)C

InChI

InChI=1S/C32H43N5O5S/c1-3-41-31(38)23-43(39,40)37(18-8-10-25-9-7-11-26(22-25)32(33)34)27-13-14-29(24(2)21-27)42-28-15-19-36(20-16-28)30-12-5-4-6-17-35-30/h7-11,13-14,21-22,28H,3-6,12,15-20,23H2,1-2H3,(H3,33,34)/b10-8+