2-[ethylsulfonyl-(6-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(2-piperazin-1-ylethyl)ethanamide dihydrochloride

Systemtic Name: 2-[ethylsulfonyl-(6-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(2-piperazin-1-ylethyl)ethanamide dihydrochloride Openeye Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-chroman-4-yl)amino]-N-(2-piperazin-1-ylethyl)acetamide dihydrochloride CAS Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-N-[2-(1-piperazinyl)ethyl]acetamide dihydrochloride IUPAC Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(2-piperazin-1-ylethyl)acetamide dihydrochloride Traditional Name: 2-[esyl-(6-fluoro-2,2-dimethyl-chroman-4-yl)amino]-N-(2-piperazinoethyl)acetamide dihydrochloride Formula: C21H35Cl2FN4O4S MolecularWeight: 529.496403

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC(=O)NCCN1CCNCC1)C2CC(OC3=C2C=C(C=C3)F)(C)C.Cl.Cl

Isomeric SMILES

CCS(=O)(=O)N(CC(=O)NCCN1CCNCC1)C2CC(OC3=C2C=C(C=C3)F)(C)C.Cl.Cl

InChI

InChI=1S/C21H33FN4O4S.2ClH/c1-4-31(28,29)26(15-20(27)24-9-12-25-10-7-23-8-11-25)18-14-21(2,3)30-19-6-5-16(22)13-17(18)19;;/h5-6,13,18,23H,4,7-12,14-15H2,1-3H3,(H,24,27);2*1H