azepan-1-yl-[1-[4-(methylsulfonylmethyl)phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(methylsulfonylmethyl)phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(methylsulfonylmethyl)benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(mesylmethyl)benzoyl]-4-piperidyl]methanone Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O4S/c1-28(26,27)16-17-6-8-18(9-7-17)20(24)23-14-10-19(11-15-23)21(25)22-12-4-2-3-5-13-22/h6-9,19H,2-5,10-16H2,1H3