N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-2-methyl-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-2-methyl-5-pyrrolidinosulfonyl-benzamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O3S2/c1-15-8-10-17(31(28,29)26-12-4-5-13-26)14-19(15)22(27)25-23-24-21-18-7-3-2-6-16(18)9-11-20(21)30-23/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,24,25,27)