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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-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=CN=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O3S2/c1-21(2)25-10-7-11-26-27(25)31-29(37-26)33(20-22-9-8-16-30-19-22)28(34)23-12-14-24(15-13-23)38(35,36)32-17-5-3-4-6-18-32/h7-16,19,21H,3-6,17-18,20H2,1-2H3