1-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-piperidyl]-1,4-diazepan-5-one Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3)C)C)OC

InChI

InChI=1S/C20H31N3O4S/c1-14-13-18(27-4)15(2)16(3)20(14)28(25,26)23-10-5-17(6-11-23)22-9-7-19(24)21-8-12-22/h13,17H,5-12H2,1-4H3,(H,21,24)