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

Systemtic Name: 2-[ethylsulfonyl-(6-fluoranyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(2-piperazin-1-ylethyl)ethanamide Openeye Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-chroman-4-yl)amino]-N-(2-piperazin-1-ylethyl)acetamide CAS Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino]-N-[2-(1-piperazinyl)ethyl]acetamide IUPAC Name: 2-[ethylsulfonyl-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-(2-piperazin-1-ylethyl)acetamide Traditional Name: 2-[esyl-(6-fluoro-2,2-dimethyl-chroman-4-yl)amino]-N-(2-piperazinoethyl)acetamide Formula: C21H33FN4O4S MolecularWeight: 456.574523

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H33FN4O4S/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)