N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-pyrrolidinosulfonyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

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