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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)-N-(3-pyridylmethyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)-4-tosyl-butyramide Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N(CC2=CN=CC=C2)C3=NC4=C(C=CC=C4S3)C(C)C

InChI

InChI=1S/C27H29N3O3S2/c1-19(2)23-8-4-9-24-26(23)29-27(34-24)30(18-21-7-5-15-28-17-21)25(31)10-6-16-35(32,33)22-13-11-20(3)12-14-22/h4-5,7-9,11-15,17,19H,6,10,16,18H2,1-3H3