[4-(4-butan-2-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: (4-methylpiperazin-1-yl)-[4-(4-sec-butylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: (4-methylpiperazino)-[4-(4-sec-butylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methanone Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C24H31N3O4S/c1-4-18(2)19-9-11-20(12-10-19)32(29,30)27-17-23(31-22-8-6-5-7-21(22)27)24(28)26-15-13-25(3)14-16-26/h5-12,18,23H,4,13-17H2,1-3H3