(2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-14-8-10-15(11-9-14)28(25,26)23-12-4-6-17(23)20(24)21-13-19-22-16-5-2-3-7-18(16)27-19/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,21,24)/t17-/m0/s1