3-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-propoxy-benzenesulfonamide

Systemtic Name: 3-methyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]-4-propoxy-benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-3-methyl-4-propoxy-benzenesulfonamide CAS Name: 3-methyl-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-4-propoxybenzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-3-methyl-4-propoxybenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-3-methyl-4-propoxy-benzenesulfonamide Formula: C28H36N4O3S MolecularWeight: 508.67544

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C28H36N4O3S/c1-3-18-35-28-12-11-26(19-23(28)2)36(33,34)30-21-27(25-10-7-13-29-20-25)32-16-14-31(15-17-32)22-24-8-5-4-6-9-24/h4-13,19-20,27,30H,3,14-18,21-22H2,1-2H3