4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]-N-phenyl-piperidine-1-carboxamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-31-20-8-7-16(13-19(20)26(29)30)14-32-15-21(27)23-18-9-11-25(12-10-18)22(28)24-17-5-3-2-4-6-17/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)