1-cyclohexyl-N-[4-(4-methoxyphenyl)sulfanylphenyl]-N-[(3-nitrophenyl)methyl]piperidin-4-amine

Systemtic Name: 1-cyclohexyl-N-[4-(4-methoxyphenyl)sulfanylphenyl]-N-[(3-nitrophenyl)methyl]piperidin-4-amine Openeye Name: 1-cyclohexyl-N-[4-(4-methoxyphenyl)sulfanylphenyl]-N-[(3-nitrophenyl)methyl]piperidin-4-amine CAS Name: 1-cyclohexyl-N-[4-[(4-methoxyphenyl)thio]phenyl]-N-[(3-nitrophenyl)methyl]-4-piperidinamine IUPAC Name: 1-cyclohexyl-N-[4-(4-methoxyphenyl)sulfanylphenyl]-N-[(3-nitrophenyl)methyl]piperidin-4-amine Traditional Name: (1-cyclohexyl-4-piperidyl)-[4-[(4-methoxyphenyl)thio]phenyl]-(3-nitrobenzyl)amine Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC=C(C=C2)N(CC3=CC(=CC=C3)[N+](=O)[O-])C4CCN(CC4)C5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC=C(C=C2)N(CC3=CC(=CC=C3)[N+](=O)[O-])C4CCN(CC4)C5CCCCC5

InChI

InChI=1S/C31H37N3O3S/c1-37-29-12-16-31(17-13-29)38-30-14-10-26(11-15-30)33(23-24-6-5-9-28(22-24)34(35)36)27-18-20-32(21-19-27)25-7-3-2-4-8-25/h5-6,9-17,22,25,27H,2-4,7-8,18-21,23H2,1H3