(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone hydrochloride

Systemtic Name: (4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone hydrochloride Openeye Name: (4-methoxy-3-morpholinosulfonyl-phenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone hydrochloride CAS Name: [4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methanone hydrochloride IUPAC Name: (4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone hydrochloride Traditional Name: (4-methoxy-3-morpholinosulfonyl-phenyl)-[4-(2-pyrrolidinoethyl)piperazino]methanone hydrochloride Formula: C22H35ClN4O5S MolecularWeight: 503.0551

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCN3CCCC3)S(=O)(=O)N4CCOCC4.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCN3CCCC3)S(=O)(=O)N4CCOCC4.Cl

InChI

InChI=1S/C22H34N4O5S.ClH/c1-30-20-5-4-19(18-21(20)32(28,29)26-14-16-31-17-15-26)22(27)25-12-10-24(11-13-25)9-8-23-6-2-3-7-23;/h4-5,18H,2-3,6-17H2,1H3;1H