N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-tosyl-butyramide Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H28N2O4S2/c1-3-33-23-11-7-12-24-26(23)28-27(34-24)29(19-21-9-5-4-6-10-21)25(30)13-8-18-35(31,32)22-16-14-20(2)15-17-22/h4-7,9-12,14-17H,3,8,13,18-19H2,1-2H3