[(3S)-1-(3-nitrophenyl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [(3S)-1-(3-nitrophenyl)sulfonylpiperidin-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[(3S)-1-(3-nitrophenyl)sulfonyl-3-piperidyl]methanone CAS Name: [(3S)-1-(3-nitrophenyl)sulfonyl-3-piperidinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[(3S)-1-(3-nitrophenyl)sulfonylpiperidin-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[(3S)-1-(3-nitrophenyl)sulfonyl-3-piperidyl]methanone Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O5S/c28-23(25-14-12-24(13-15-25)17-19-6-2-1-3-7-19)20-8-5-11-26(18-20)33(31,32)22-10-4-9-21(16-22)27(29)30/h1-4,6-7,9-10,16,20H,5,8,11-15,17-18H2/t20-/m0/s1