4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-6-pyrrolidinosulfonyl-1,4-benzoxazin-3-one Formula: C26H32N4O5S MolecularWeight: 512.62108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)S(=O)(=O)N5CCCC5

InChI

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