ethyl N-[4-phenyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate

Systemtic Name: ethyl N-[4-phenyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-phenyl-phenyl]sulfamate CAS Name: N-[4-phenyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-phenylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-phenyl-phenyl]sulfamic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-2-31-32(29,30)27-24-14-13-22(21-11-7-4-8-12-21)18-25(24)28-16-15-26-23(19-28)17-20-9-5-3-6-10-20/h3-14,18,23,26-27H,2,15-17,19H2,1H3