1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-4-(3-pyridylmethyl)piperazine CAS Name: 1-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-4-(3-pyridylmethyl)piperazine Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O4S/c1-18-4-3-9-26(16-18)32(30,31)20-6-7-21(22(14-20)27(28)29)25-12-10-24(11-13-25)17-19-5-2-8-23-15-19/h2,5-8,14-15,18H,3-4,9-13,16-17H2,1H3/t18-/m0/s1