1-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-[4-(1,1-dimethylpropyl)phenyl]sulfonyl-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonyl-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-(4-tert-amylphenyl)sulfonyl-4-piperidyl]-1,4-diazepan-5-one Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3

InChI

InChI=1S/C21H33N3O3S/c1-4-21(2,3)17-5-7-19(8-6-17)28(26,27)24-14-9-18(10-15-24)23-13-11-20(25)22-12-16-23/h5-8,18H,4,9-16H2,1-3H3,(H,22,25)