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

Systemtic Name: 3-(phenylsulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propanamide CAS Name: 3-(benzenesulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-besyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)propionamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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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)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S2/c1-18(2)21-11-6-12-22-24(21)27-25(32-22)28(17-19-8-7-14-26-16-19)23(29)13-15-33(30,31)20-9-4-3-5-10-20/h3-12,14,16,18H,13,15,17H2,1-2H3