azepan-1-yl-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(2-methyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(2-methyl-5-nitro-phenyl)sulfonyl-4-piperidyl]methanone Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N3O5S/c1-15-6-7-17(22(24)25)14-18(15)28(26,27)21-12-8-16(9-13-21)19(23)20-10-4-2-3-5-11-20/h6-7,14,16H,2-5,8-13H2,1H3