azepan-1-yl-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]methanone Formula: C24H36N4O5S MolecularWeight: 492.63144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H36N4O5S/c29-24(26-13-5-1-2-6-14-26)20-11-17-25(18-12-20)22-10-9-21(19-23(22)28(30)31)34(32,33)27-15-7-3-4-8-16-27/h9-10,19-20H,1-8,11-18H2