ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamate

Systemtic Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-isopropylsulfonyl-phenyl]sulfamate CAS Name: N-[2-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[2-[3-(2-hydroxyphenyl)piperazino]-4-isopropylsulfonyl-phenyl]sulfamic acid ethyl ester Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C(C)C)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C(C)C)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C21H29N3O6S2/c1-4-30-32(28,29)23-18-10-9-16(31(26,27)15(2)3)13-20(18)24-12-11-22-19(14-24)17-7-5-6-8-21(17)25/h5-10,13,15,19,22-23,25H,4,11-12,14H2,1-3H3