(2S)-N-(1,3-benzothiazol-5-yl)-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-5-yl)-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzothiazol-5-yl)-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzothiazol-5-yl)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzothiazol-5-yl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1,3-benzothiazol-5-yl)-1-(4-chlorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C18H16ClN3O3S2/c19-12-3-6-14(7-4-12)27(24,25)22-9-1-2-16(22)18(23)21-13-5-8-17-15(10-13)20-11-26-17/h3-8,10-11,16H,1-2,9H2,(H,21,23)/t16-/m0/s1