N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)C

InChI

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