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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

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