phenyl N-[2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]sulfamate Openeye Name: phenyl N-[2-(4-ethylphenyl)-2-(3-isopropylsulfonylpiperazin-1-yl)ethyl]sulfamate CAS Name: N-[2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]sulfamate Traditional Name: N-[2-(4-ethylphenyl)-2-(3-isopropylsulfonylpiperazino)ethyl]sulfamic acid phenyl ester Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H33N3O5S2/c1-4-19-10-12-20(13-11-19)22(16-25-33(29,30)31-21-8-6-5-7-9-21)26-15-14-24-23(17-26)32(27,28)18(2)3/h5-13,18,22-25H,4,14-17H2,1-3H3