ethyl 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]amino]ethanoate

Systemtic Name: ethyl 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]amino]ethanoate Openeye Name: ethyl 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]amino]acetate CAS Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[butylsulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]amino]acetate Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]-butylsulfonyl-amino]acetic acid ethyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C25H32N4O4S/c1-4-6-13-34(31,32)29(17-24(30)33-5-2)21-11-12-23-20(15-21)16-22(28(23)3)14-18-7-9-19(10-8-18)25(26)27/h7-12,15-16H,4-6,13-14,17H2,1-3H3,(H3,26,27)