[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: [1-(3,4-dimethylphenyl)sulfonyl-4-piperidyl]-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C20H31N3O5S2/c1-16-5-6-19(15-17(16)2)30(27,28)23-11-7-18(8-12-23)20(24)21-9-4-10-22(14-13-21)29(3,25)26/h5-6,15,18H,4,7-14H2,1-3H3