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

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1,4-diazepan-1-yl)phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-[4-(1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-(1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid Traditional Name: 2-[(7-amidino-2-naphthyl)methyl-[4-(1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)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

C1CNCCN(C1)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/C25H29N5O4S/c26-25(27)20-5-4-19-3-2-18(14-21(19)15-20)16-30(35(33,34)17-24(31)32)23-8-6-22(7-9-23)29-12-1-10-28-11-13-29/h2-9,14-15,28H,1,10-13,16-17H2,(H3,26,27)(H,31,32)