4-(phenylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-(phenylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-besyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)butyramide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-19(2)22-12-6-13-23-25(22)28-26(33-23)29(18-20-9-7-15-27-17-20)24(30)14-8-16-34(31,32)21-10-4-3-5-11-21/h3-7,9-13,15,17,19H,8,14,16,18H2,1-2H3