4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Systemtic Name: 4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Openeye Name: 4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CAS Name: 4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide IUPAC Name: 4-[(2-acetamido-6-aminohexanoyl)amino]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Traditional Name: 4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C29H35N5O5S/c1-20(35)33-27(9-5-6-17-30)29(37)34-23-12-15-25(26(19-23)22-7-3-2-4-8-22)28(36)32-18-16-21-10-13-24(14-11-21)40(31,38)39/h2-4,7-8,10-15,19,27H,5-6,9,16-18,30H2,1H3,(H,32,36)(H,33,35)(H,34,37)(H2,31,38,39)