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

Systemtic Name: phenyl N-[2-(3-ethoxypiperazin-1-yl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamate Openeye Name: phenyl N-[2-(4-benzylphenyl)-2-(3-ethoxypiperazin-1-yl)ethyl]sulfamate CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-2-[4-(phenylmethyl)phenyl]ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-benzylphenyl)-2-(3-ethoxypiperazin-1-yl)ethyl]sulfamate Traditional Name: N-[2-(4-benzylphenyl)-2-(3-ethoxypiperazino)ethyl]sulfamic acid phenyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C(CNS(=O)(=O)OC2=CC=CC=C2)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S/c1-2-33-27-21-30(18-17-28-27)26(20-29-35(31,32)34-25-11-7-4-8-12-25)24-15-13-23(14-16-24)19-22-9-5-3-6-10-22/h3-16,26-29H,2,17-21H2,1H3