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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloranyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloro-3-morpholinosulfonyl-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloro-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-chloro-3-morpholinosulfonyl-benzamide Formula: C22H18ClN3O4S2 MolecularWeight: 487.97902

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C22H18ClN3O4S2/c23-17-7-5-15(13-19(17)32(28,29)26-9-11-30-12-10-26)21(27)25-22-24-20-16-4-2-1-3-14(16)6-8-18(20)31-22/h1-8,13H,9-12H2,(H,24,25,27)