N-[2-(4-methylphenoxy)ethyl]-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[2-(4-methylphenoxy)ethyl]-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-[2-(4-methylphenoxy)ethyl]benzamide CAS Name: N-[2-(4-methylphenoxy)ethyl]-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-[2-(4-methylphenoxy)ethyl]benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-[2-(4-methylphenoxy)ethyl]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4S/c1-22-10-12-25(13-11-22)34-19-14-28-27(31)24-8-5-9-26(20-24)35(32,33)30-17-15-29(16-18-30)21-23-6-3-2-4-7-23/h2-13,20H,14-19,21H2,1H3,(H,28,31)