N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]-4-methyl-benzenesulfonamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N3O4S/c1-20-7-10-23(11-8-20)34(30,31)27-18-24(21-9-12-25-26(17-21)33-19-32-25)29-15-13-28(14-16-29)22-5-3-2-4-6-22/h2-12,17,24,27H,13-16,18-19H2,1H3/t24-/m0/s1