3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-chloranyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-chloranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-benzamide Formula: C26H24ClN3O3S2 MolecularWeight: 526.07006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H24ClN3O3S2/c27-21-14-11-19(17-24(21)35(32,33)30-15-5-1-2-6-16-30)25(31)28-20-12-9-18(10-13-20)26-29-22-7-3-4-8-23(22)34-26/h3-4,7-14,17H,1-2,5-6,15-16H2,(H,28,31)