1-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one

Systemtic Name: 1-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azepan-2-one Openeye Name: 1-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]azepan-2-one CAS Name: 1-[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2-azepanone IUPAC Name: 1-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azepan-2-one Traditional Name: 1-[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-keto-ethyl]azepan-2-one Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCCCC3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCCCC3=O

InChI

InChI=1S/C22H33N3O4S/c1-22(2,3)18-8-10-19(11-9-18)30(28,29)25-15-13-23(14-16-25)21(27)17-24-12-6-4-5-7-20(24)26/h8-11H,4-7,12-17H2,1-3H3