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

Systemtic Name: ethyl N-[2-[3-(phenylmethyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamate CAS Name: N-[2-[3-(phenylmethyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-benzylpiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[2-(3-benzylpiperazino)-4-isopropylsulfonyl-phenyl]sulfamic acid ethyl ester Formula: C22H31N3O5S2 MolecularWeight: 481.62864

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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)CC3=CC=CC=C3

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O5S2/c1-4-30-32(28,29)24-21-11-10-20(31(26,27)17(2)3)15-22(21)25-13-12-23-19(16-25)14-18-8-6-5-7-9-18/h5-11,15,17,19,23-24H,4,12-14,16H2,1-3H3