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

Systemtic Name: ethyl N-[4-(phenylmethyl)-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: ethyl N-[4-benzyl-2-(3-benzylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(phenylmethyl)-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-benzyl-2-(3-benzylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-benzylpiperazino)phenyl]sulfamic acid ethyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)CC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O3S/c1-2-32-33(30,31)28-25-14-13-23(17-21-9-5-3-6-10-21)19-26(25)29-16-15-27-24(20-29)18-22-11-7-4-8-12-22/h3-14,19,24,27-28H,2,15-18,20H2,1H3