[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-nitrophenyl)methanone Formula: C17H24N4O5S MolecularWeight: 396.46126

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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(15-6-5-7-16(14-15)21(23)24)18-10-12-20(13-11-18)27(25,26)19-8-3-1-2-4-9-19/h5-7,14H,1-4,8-13H2