azepan-1-yl-[6-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone

Systemtic Name: azepan-1-yl-[6-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Openeye Name: azepan-1-yl-[6-[(4-methyl-1-piperidyl)sulfonyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanone CAS Name: 1-azepanyl-[6-[(4-methyl-1-piperidinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanone IUPAC Name: azepan-1-yl-[6-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Traditional Name: azepan-1-yl-[6-(4-methylpiperidino)sulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanone Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N2O5S/c1-16-8-12-23(13-9-16)29(25,26)17-6-7-18-19(14-17)27-15-20(28-18)21(24)22-10-4-2-3-5-11-22/h6-7,14,16,20H,2-5,8-13,15H2,1H3