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

Systemtic Name: 4-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-[3-methyl-4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[3-methyl-4-(m-tolyl)piperazino]ethyl]-6-pyrrolidinosulfonyl-1,4-benzoxazin-3-one Formula: C26H32N4O5S MolecularWeight: 512.62108

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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)N5CCCC5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C26H32N4O5S/c1-19-6-5-7-21(14-19)29-13-12-27(16-20(29)2)25(31)17-30-23-15-22(8-9-24(23)35-18-26(30)32)36(33,34)28-10-3-4-11-28/h5-9,14-15,20H,3-4,10-13,16-18H2,1-2H3