N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H33N3O4S/c27-22-10-5-2-6-15-25(22)16-7-14-24-23(28)21-11-17-26(18-12-21)31(29,30)19-13-20-8-3-1-4-9-20/h1,3-4,8-9,13,19,21H,2,5-7,10-12,14-18H2,(H,24,28)/b19-13+