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

Systemtic Name: ethyl N-[4-(phenylmethyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Openeye Name: ethyl N-[4-benzyl-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]sulfamate CAS Name: N-[4-(phenylmethyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[4-benzyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamate Traditional Name: N-[4-benzyl-2-(3-isopropylsulfonylpiperazino)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)CC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

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