N,N-dimethyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxamide

Systemtic Name: N,N-dimethyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]-4-oxidanyl-piperidine-3-carboxamide Openeye Name: 4-hydroxy-1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]-N,N-dimethyl-piperidine-3-carboxamide CAS Name: 4-hydroxy-N,N-dimethyl-1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxamide IUPAC Name: 4-hydroxy-N,N-dimethyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-3-carboxamide Traditional Name: 4-hydroxy-N,N-dimethyl-1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]nipecotamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C(C3)C(=O)N(C)C)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C(C3)C(=O)N(C)C)O)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O5S/c1-16(2)19-8-6-7-9-23(19)35-24-11-10-18(14-21(24)29(33)34)17(3)25(31)28-13-12-22(30)20(15-28)26(32)27(4)5/h6-11,14,16,20,22,30H,3,12-13,15H2,1-2,4-5H3