3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloranyl-N-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloranyl-N-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-ylmethyl)-4-chloro-N-methyl-benzamide Formula: C22H24ClN3O3S2 MolecularWeight: 478.02726

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H24ClN3O3S2/c1-25(15-21-24-18-8-4-5-9-19(18)30-21)22(27)16-10-11-17(23)20(14-16)31(28,29)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3