[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonyl-2-piperidyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonyl-2-piperidinyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonylpiperidin-2-yl)methanone Traditional Name: (1-mesyl-2-piperidyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCCN3S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3CCCCN3S(=O)(=O)C

InChI

InChI=1S/C20H31N3O4S/c1-27-18-9-7-17(8-10-18)16-21-11-5-12-22(15-14-21)20(24)19-6-3-4-13-23(19)28(2,25)26/h7-10,19H,3-6,11-16H2,1-2H3