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

Systemtic Name: methyl N-[2-(3-chloranylpiperazin-1-yl)-4-(phenylmethyl)phenyl]sulfamate Openeye Name: methyl N-[4-benzyl-2-(3-chloropiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-(3-chloro-1-piperazinyl)-4-(phenylmethyl)phenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[4-benzyl-2-(3-chloropiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-chloropiperazino)phenyl]sulfamic acid methyl ester Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3S/c1-25-26(23,24)21-16-8-7-15(11-14-5-3-2-4-6-14)12-17(16)22-10-9-20-18(19)13-22/h2-8,12,18,20-21H,9-11,13H2,1H3