3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[3-[4-(o-tolyl)piperazin-1-yl]-3-oxo-propyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one CAS Name: 3-[3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-[4-(o-tolyl)piperazino]propyl]-6-pyrrolidinosulfonyl-1,3-benzoxazol-2-one Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)OC3=O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C4=C(C=C(C=C4)S(=O)(=O)N5CCCC5)OC3=O

InChI

InChI=1S/C25H30N4O5S/c1-19-6-2-3-7-21(19)26-14-16-27(17-15-26)24(30)10-13-29-22-9-8-20(18-23(22)34-25(29)31)35(32,33)28-11-4-5-12-28/h2-3,6-9,18H,4-5,10-17H2,1H3