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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-31-32(29,30)27-24-13-12-22(16-20-8-4-2-5-9-20)18-25(24)28-15-14-26-23(19-28)17-21-10-6-3-7-11-21/h2-13,18,23,26-27H,14-17,19H2,1H3