azepan-1-yl-[1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-4-piperidyl]methanone Formula: C24H36N4O5S MolecularWeight: 492.63144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H36N4O5S/c1-19-7-6-14-27(18-19)34(32,33)21-8-9-22(23(17-21)28(30)31)25-15-10-20(11-16-25)24(29)26-12-4-2-3-5-13-26/h8-9,17,19-20H,2-7,10-16,18H2,1H3/t19-/m0/s1