N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[(2R)-2-(3-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(=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C27H35N3O4S/c1-34-25-11-7-10-24(20-25)26(29-15-5-6-16-29)21-28-27(31)23-12-17-30(18-13-23)35(32,33)19-14-22-8-3-2-4-9-22/h2-4,7-11,14,19-20,23,26H,5-6,12-13,15-18,21H2,1H3,(H,28,31)/b19-14+/t26-/m0/s1