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

Systemtic Name: ethyl N-[2-(3-methylsulfanylpiperazin-1-yl)-4-(phenylmethyl)phenyl]sulfamate Openeye Name: ethyl N-[4-benzyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-[3-(methylthio)-1-piperazinyl]-4-(phenylmethyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-benzyl-2-(3-methylsulfanylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-[3-(methylthio)piperazino]phenyl]sulfamic acid ethyl ester Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C20H27N3O3S2/c1-3-26-28(24,25)22-18-10-9-17(13-16-7-5-4-6-8-16)14-19(18)23-12-11-21-20(15-23)27-2/h4-10,14,20-22H,3,11-13,15H2,1-2H3