6-piperazin-1-yl-4-(4-piperazin-1-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 6-piperazin-1-yl-4-(4-piperazin-1-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 6-piperazin-1-yl-4-(4-piperazin-1-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine CAS Name: 6-(1-piperazinyl)-4-[4-(1-piperazinyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine IUPAC Name: 6-piperazin-1-yl-4-(4-piperazin-1-ylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 6-piperazino-4-(4-piperazinophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine Formula: C22H29N5O3S MolecularWeight: 443.56236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)N3CCOC4=C3C=C(C=C4)N5CCNCC5

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)S(=O)(=O)N3CCOC4=C3C=C(C=C4)N5CCNCC5

InChI

InChI=1S/C22H29N5O3S/c28-31(29,20-4-1-18(2-5-20)25-11-7-23-8-12-25)27-15-16-30-22-6-3-19(17-21(22)27)26-13-9-24-10-14-26/h1-6,17,23-24H,7-16H2