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

Systemtic Name: [4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]piperidin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-1-piperidyl]-(2-furyl)methanone CAS Name: [4-[4-(1-azepanylsulfonyl)-2-nitroanilino]-1-piperidinyl]-(2-furanyl)methanone IUPAC Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]piperidin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]piperidino]-(2-furyl)methanone Formula: C22H28N4O6S MolecularWeight: 476.54592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CCN(CC3)C(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S/c27-22(21-6-5-15-32-21)24-13-9-17(10-14-24)23-19-8-7-18(16-20(19)26(28)29)33(30,31)25-11-3-1-2-4-12-25/h5-8,15-17,23H,1-4,9-14H2