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

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S2/c1-15-9-11-16(12-10-15)29(26,27)24-13-5-7-18(24)21(25)23(2)14-20-22-17-6-3-4-8-19(17)28-20/h3-4,6,8-12,18H,5,7,13-14H2,1-2H3/t18-/m0/s1