6-chloranyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-chloranyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[3-(4-methyl-1-piperazinyl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-4-mesyl-N-[3-(4-methylpiperazino)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H27ClN4O4S MolecularWeight: 430.94938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H27ClN4O4S/c1-21-8-10-22(11-9-21)7-3-6-20-18(24)17-13-23(28(2,25)26)15-12-14(19)4-5-16(15)27-17/h4-5,12,17H,3,6-11,13H2,1-2H3,(H,20,24)