4-(azepan-1-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H29N3O3S2/c1-21-10-9-13-25-26(21)29-28(35-25)31(20-22-11-5-4-6-12-22)27(32)23-14-16-24(17-15-23)36(33,34)30-18-7-2-3-8-19-30/h4-6,9-17H,2-3,7-8,18-20H2,1H3