4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C(=CC=C1)C)N(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H29N3O3S2/c1-20-10-9-11-21(2)26(20)31(28-29-24-12-5-6-13-25(24)35-28)27(32)22-14-16-23(17-15-22)36(33,34)30-18-7-3-4-8-19-30/h5-6,9-17H,3-4,7-8,18-19H2,1-2H3