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

Systemtic Name: azepan-1-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: azepan-1-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-azepanyl-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: azepan-1-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: azepan-1-yl-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S/c22-17(18-8-3-1-2-4-9-18)19-10-12-20(13-11-19)27(25,26)16-7-5-6-15(14-16)21(23)24/h5-7,14H,1-4,8-13H2