2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]ethanoic acid

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid Traditional Name: 2-[(7-amidino-2-naphthyl)methyl-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid Formula: C26H31N5O4S MolecularWeight: 509.62044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)CC(=O)O

Isomeric SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)N(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C26H31N5O4S/c1-29-11-2-12-30(14-13-29)23-7-9-24(10-8-23)31(36(34,35)18-25(32)33)17-19-3-4-20-5-6-21(26(27)28)16-22(20)15-19/h3-10,15-16H,2,11-14,17-18H2,1H3,(H3,27,28)(H,32,33)