[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-nitrophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-nitrophenyl)methanone Formula: C17H24N4O5S MolecularWeight: 396.46126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O5S/c22-17(15-7-3-4-8-16(15)21(23)24)18-11-13-20(14-12-18)27(25,26)19-9-5-1-2-6-10-19/h3-4,7-8H,1-2,5-6,9-14H2