N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21N3O4S2/c1-13-5-10-16(27-2)17-18(13)28-20(21-17)22-19(24)14-6-8-15(9-7-14)29(25,26)23-11-3-4-12-23/h5-10H,3-4,11-12H2,1-2H3,(H,21,22,24)