N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfonyl-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)N3CCCC3

InChI

InChI=1S/C21H26N2O4S/c1-27-18-9-5-16(6-10-18)20(23-13-3-4-14-23)15-22-21(24)17-7-11-19(12-8-17)28(2,25)26/h5-12,20H,3-4,13-15H2,1-2H3,(H,22,24)/t20-/m0/s1