3-[[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-(phenylmethyl)pyridin-2-amine

Systemtic Name: 3-[[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]methyl]-N-(phenylmethyl)pyridin-2-amine Openeye Name: N-benzyl-3-[[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyridin-2-amine CAS Name: 3-[[4-(4-butoxyphenyl)sulfonyl-1-piperazinyl]methyl]-N-(phenylmethyl)-2-pyridinamine IUPAC Name: N-benzyl-3-[[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyridin-2-amine Traditional Name: benzyl-[3-[[4-(4-butoxyphenyl)sulfonylpiperazino]methyl]-2-pyridyl]amine Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(N=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(N=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3S/c1-2-3-20-34-25-11-13-26(14-12-25)35(32,33)31-18-16-30(17-19-31)22-24-10-7-15-28-27(24)29-21-23-8-5-4-6-9-23/h4-15H,2-3,16-22H2,1H3,(H,28,29)