N-[1-[2-(azepan-1-ylcarbonyl)-2-[(4-cyanophenyl)methyl]hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]naphthalene-2-sulfonamide

Systemtic Name: N-[1-[2-(azepan-1-ylcarbonyl)-2-[(4-cyanophenyl)methyl]hydrazinyl]-1-oxidanylidene-3-phenyl-propan-2-yl]naphthalene-2-sulfonamide Openeye Name: N-[2-[2-(azepane-1-carbonyl)-2-[(4-cyanophenyl)methyl]hydrazino]-1-benzyl-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[1-[2-[1-azepanyl(oxo)methyl]-2-[(4-cyanophenyl)methyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]-2-naphthalenesulfonamide IUPAC Name: N-[1-[2-(azepane-1-carbonyl)-2-[(4-cyanophenyl)methyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]naphthalene-2-sulfonamide Traditional Name: N-[2-[N'-(azepane-1-carbonyl)-N'-(4-cyanobenzyl)hydrazino]-1-benzyl-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C34H35N5O4S MolecularWeight: 609.7378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C#N)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C#N)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C34H35N5O4S/c35-24-27-14-16-28(17-15-27)25-39(34(41)38-20-8-1-2-9-21-38)36-33(40)32(22-26-10-4-3-5-11-26)37-44(42,43)31-19-18-29-12-6-7-13-30(29)23-31/h3-7,10-19,23,32,37H,1-2,8-9,20-22,25H2,(H,36,40)