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

Systemtic Name: ethyl N-[2-(3-propan-2-ylsulfonylpiperazin-1-yl)-4-propyl-phenyl]sulfamate Openeye Name: ethyl N-[2-(3-isopropylsulfonylpiperazin-1-yl)-4-propyl-phenyl]sulfamate CAS Name: N-[2-(3-propan-2-ylsulfonyl-1-piperazinyl)-4-propylphenyl]sulfamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-propan-2-ylsulfonylpiperazin-1-yl)-4-propylphenyl]sulfamate Traditional Name: N-[2-(3-isopropylsulfonylpiperazino)-4-propyl-phenyl]sulfamic acid ethyl ester Formula: C18H31N3O5S2 MolecularWeight: 433.58584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)OCC)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C18H31N3O5S2/c1-5-7-15-8-9-16(20-28(24,25)26-6-2)17(12-15)21-11-10-19-18(13-21)27(22,23)14(3)4/h8-9,12,14,18-20H,5-7,10-11,13H2,1-4H3