N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide

Systemtic Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]-2-methyl-benzamide Openeye Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-[4-(4-tert-butylphenyl)sulfonylpiperazino]-3-keto-propyl]-2-methyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H33N3O4S/c1-19-7-5-6-8-22(19)24(30)26-14-13-23(29)27-15-17-28(18-16-27)33(31,32)21-11-9-20(10-12-21)25(2,3)4/h5-12H,13-18H2,1-4H3,(H,26,30)