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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

InChI

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