N-benzo[e][1,3]benzothiazol-2-yl-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-chloro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloro-3-pyrrolidinosulfonyl-benzamide Formula: C22H18ClN3O3S2 MolecularWeight: 471.97962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C22H18ClN3O3S2/c23-17-9-7-15(13-19(17)31(28,29)26-11-3-4-12-26)21(27)25-22-24-20-16-6-2-1-5-14(16)8-10-18(20)30-22/h1-2,5-10,13H,3-4,11-12H2,(H,24,25,27)