N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C27H35N3O4S/c1-34-26-12-6-5-11-24(26)25(29-16-7-8-17-29)21-28-27(31)23-13-18-30(19-14-23)35(32,33)20-15-22-9-3-2-4-10-22/h2-6,9-12,15,20,23,25H,7-8,13-14,16-19,21H2,1H3,(H,28,31)/b20-15+