4-methyl-7-(6-piperazin-1-ylindol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-methyl-7-(6-piperazin-1-ylindol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-methyl-7-(6-piperazin-1-ylindol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine CAS Name: 4-methyl-7-[[6-(1-piperazinyl)-1-indolyl]sulfonyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-methyl-7-(6-piperazin-1-ylindol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-methyl-7-(6-piperazinoindol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)N5CCNCC5

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)N5CCNCC5

InChI

InChI=1S/C21H24N4O3S/c1-23-12-13-28-21-15-18(4-5-19(21)23)29(26,27)25-9-6-16-2-3-17(14-20(16)25)24-10-7-22-8-11-24/h2-6,9,14-15,22H,7-8,10-13H2,1H3