1-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-phenethyl-piperazine

Systemtic Name: 1-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-phenethyl-piperazine Openeye Name: 1-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-4-phenethyl-piperazine CAS Name: 1-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-phenethylpiperazine IUPAC Name: 1-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-4-phenethylpiperazine Traditional Name: 1-[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-4-phenethyl-piperazine Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O4S/c1-20-6-5-12-27(19-20)33(31,32)22-9-10-23(24(18-22)28(29)30)26-16-14-25(15-17-26)13-11-21-7-3-2-4-8-21/h2-4,7-10,18,20H,5-6,11-17,19H2,1H3/t20-/m1/s1