3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide hydrochloride

Systemtic Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide hydrochloride Openeye Name: N-benzyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide hydrochloride CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide hydrochloride IUPAC Name: N-benzyl-3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide hydrochloride Traditional Name: N-benzyl-3-(4-o-phenetylpiperazine-1-carbonyl)benzenesulfonamide hydrochloride Formula: C26H30ClN3O4S MolecularWeight: 516.0521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NCC4=CC=CC=C4.Cl

InChI

InChI=1S/C26H29N3O4S.ClH/c1-2-33-25-14-7-6-13-24(25)28-15-17-29(18-16-28)26(30)22-11-8-12-23(19-22)34(31,32)27-20-21-9-4-3-5-10-21;/h3-14,19,27H,2,15-18,20H2,1H3;1H