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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-methyl-benzamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H27N3O3S2/c1-19-10-11-21(18-25(19)35(32,33)30-16-6-2-3-7-17-30)26(31)28-22-14-12-20(13-15-22)27-29-23-8-4-5-9-24(23)34-27/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3,(H,28,31)