(2S)-1-(4-methylphenyl)sulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-benzylpyrrolidin-3-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-benzylpyrrolidin-3-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-18-9-11-21(12-10-18)30(28,29)26-14-5-8-22(26)23(27)24-20-13-15-25(17-20)16-19-6-3-2-4-7-19/h2-4,6-7,9-12,20,22H,5,8,13-17H2,1H3,(H,24,27)/t20?,22-/m0/s1