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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4,6-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=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5)C

Isomeric SMILES

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

InChI

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