3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-benzyl-3-(4-methylphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C27H28N2O3S2 MolecularWeight: 492.65282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3S2/c1-19(2)23-10-7-11-24-26(23)28-27(33-24)29(18-21-8-5-4-6-9-21)25(30)16-17-34(31,32)22-14-12-20(3)13-15-22/h4-15,19H,16-18H2,1-3H3