2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-aniline

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-aniline Openeye Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-2-methyl-aniline CAS Name: 2-methyl-4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]aniline IUPAC Name: 4-(4-benzylpiperazin-1-yl)sulfonyl-2-methylaniline Traditional Name: [4-(4-benzylpiperazino)sulfonyl-2-methyl-phenyl]amine Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)N

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)N

InChI

InChI=1S/C18H23N3O2S/c1-15-13-17(7-8-18(15)19)24(22,23)21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14,19H2,1H3