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

Systemtic Name: [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: [1-(4-ethoxyphenyl)sulfonyl-4-piperidyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: [1-(4-ethoxyphenyl)sulfonyl-4-piperidinyl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: [1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(1-p-phenetylsulfonyl-4-piperidyl)methanone Formula: C20H31N3O6S2 MolecularWeight: 473.60664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H31N3O6S2/c1-3-29-18-5-7-19(8-6-18)31(27,28)23-13-9-17(10-14-23)20(24)21-11-4-12-22(16-15-21)30(2,25)26/h5-8,17H,3-4,9-16H2,1-2H3