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

Systemtic Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)phenyl]sulfamoyl]ethanoic acid Openeye Name: 2-[(7-carbamimidoyl-2-naphthyl)methyl-[4-[4-(4-pyridyl)-1,4-diazepan-1-yl]phenyl]sulfamoyl]acetic acid CAS Name: 2-[(7-carbamimidoyl-2-naphthalenyl)methyl-[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid IUPAC Name: 2-[(7-carbamimidoylnaphthalen-2-yl)methyl-[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)phenyl]sulfamoyl]acetic acid Traditional Name: 2-[(7-amidino-2-naphthyl)methyl-[4-[4-(4-pyridyl)-1,4-diazepan-1-yl]phenyl]sulfamoyl]acetic acid Formula: C30H32N6O4S MolecularWeight: 572.67788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=NC=C2)C3=CC=C(C=C3)N(CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1CN(CCN(C1)C2=CC=NC=C2)C3=CC=C(C=C3)N(CC4=CC5=C(C=C4)C=CC(=C5)C(=N)N)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C30H32N6O4S/c31-30(32)24-5-4-23-3-2-22(18-25(23)19-24)20-36(41(39,40)21-29(37)38)28-8-6-26(7-9-28)34-14-1-15-35(17-16-34)27-10-12-33-13-11-27/h2-13,18-19H,1,14-17,20-21H2,(H3,31,32)(H,37,38)