6-(azepan-1-ylsulfonyl)-4-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-keto-2-[3-methyl-4-(m-tolyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C28H36N4O5S MolecularWeight: 540.67424

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C28H36N4O5S/c1-21-8-7-9-23(16-21)31-15-14-29(18-22(31)2)27(33)19-32-25-17-24(10-11-26(25)37-20-28(32)34)38(35,36)30-12-5-3-4-6-13-30/h7-11,16-17,22H,3-6,12-15,18-20H2,1-2H3