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

Systemtic Name: ethyl N-[2-(3-iodanylpiperazin-1-yl)-4-(phenylmethyl)phenyl]sulfamate Openeye Name: ethyl N-[4-benzyl-2-(3-iodopiperazin-1-yl)phenyl]sulfamate CAS Name: N-[2-(3-iodo-1-piperazinyl)-4-(phenylmethyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-benzyl-2-(3-iodopiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-iodopiperazino)phenyl]sulfamic acid ethyl ester Formula: C19H24IN3O3S MolecularWeight: 501.38163

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C19H24IN3O3S/c1-2-26-27(24,25)22-17-9-8-16(12-15-6-4-3-5-7-15)13-18(17)23-11-10-21-19(20)14-23/h3-9,13,19,21-22H,2,10-12,14H2,1H3