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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)benzamide Formula: C29H32N4O3S2 MolecularWeight: 548.71938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O3S2/c1-21(2)25-11-9-12-26-27(25)31-29(37-26)33(20-23-10-5-6-17-30-23)28(34)22-13-15-24(16-14-22)38(35,36)32-18-7-3-4-8-19-32/h5-6,9-17,21H,3-4,7-8,18-20H2,1-2H3