azepan-1-yl-[1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(methylamino)-3-nitro-phenyl]sulfonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-(methylamino)-3-nitrophenyl]sulfonyl-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(methylamino)-3-nitrophenyl]sulfonylpiperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-4-piperidyl]methanone Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-20-17-7-6-16(14-18(17)23(25)26)29(27,28)22-12-8-15(9-13-22)19(24)21-10-4-2-3-5-11-21/h6-7,14-15,20H,2-5,8-13H2,1H3