(2R)-1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazino]propan-1-one Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-16(19(24)21-10-6-2-3-7-11-21)20-12-14-22(15-13-20)29(27,28)18-9-5-4-8-17(18)23(25)26/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3/t16-/m1/s1