4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H30N4O3S2/c1-20-10-11-21(2)26-25(20)30-28(36-26)32(19-23-9-5-6-16-29-23)27(33)22-12-14-24(15-13-22)37(34,35)31-17-7-3-4-8-18-31/h5-6,9-16H,3-4,7-8,17-19H2,1-2H3