4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C29H31N3O3S2/c1-21-18-26-27(19-22(21)2)36-29(30-26)32(20-23-10-6-5-7-11-23)28(33)24-12-14-25(15-13-24)37(34,35)31-16-8-3-4-9-17-31/h5-7,10-15,18-19H,3-4,8-9,16-17,20H2,1-2H3