4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-[(1-phenylcyclopropyl)methyl]butanamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-N-[(1-phenylcyclopropyl)methyl]butanamide Openeye Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide CAS Name: 4-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide Traditional Name: 4-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-keto-N-[(1-phenylcyclopropyl)methyl]butyramide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NCC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4S/c1-20-8-9-21(2)23(18-20)34(32,33)29-16-14-28(15-17-29)25(31)11-10-24(30)27-19-26(12-13-26)22-6-4-3-5-7-22/h3-9,18H,10-17,19H2,1-2H3,(H,27,30)