methyl N-[4-[3-(4-ethylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]carbamate hydrochloride

Systemtic Name: methyl N-[4-[3-(4-ethylpiperazin-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]carbamate hydrochloride Openeye Name: methyl N-[4-[[3-(4-ethylpiperazine-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]carbamate hydrochloride CAS Name: N-[4-[[3-[(4-ethyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]carbamic acid methyl ester hydrochloride IUPAC Name: methyl N-[4-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate hydrochloride Traditional Name: N-[4-[3-(4-ethylpiperazine-1-carbonyl)piperidino]sulfonylphenyl]carbamic acid methyl ester hydrochloride Formula: C20H31ClN4O5S MolecularWeight: 475.00194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC.Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC.Cl

InChI

InChI=1S/C20H30N4O5S.ClH/c1-3-22-11-13-23(14-12-22)19(25)16-5-4-10-24(15-16)30(27,28)18-8-6-17(7-9-18)21-20(26)29-2;/h6-9,16H,3-5,10-15H2,1-2H3,(H,21,26);1H