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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(=O)OS(=O)(=O)N(CC1=CC2=C(C=C1)C=CC(=C2)C(=N)N)C3=CC=C(C=C3)N4CCCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C30H32N6O4S/c1-22(37)40-41(38,39)36(21-23-3-4-24-5-6-25(30(31)32)20-26(24)19-23)29-9-7-27(8-10-29)34-15-2-16-35(18-17-34)28-11-13-33-14-12-28/h3-14,19-20H,2,15-18,21H2,1H3,(H3,31,32)