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

Systemtic Name: 4-methyl-6-(3-methyl-6-piperazin-1-yl-indol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-methyl-6-(3-methyl-6-piperazin-1-yl-indol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine CAS Name: 4-methyl-6-[[3-methyl-6-(1-piperazinyl)-1-indolyl]sulfonyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-methyl-6-(3-methyl-6-piperazin-1-ylindol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-methyl-6-(3-methyl-6-piperazino-indol-1-yl)sulfonyl-2,3-dihydro-1,4-benzoxazine Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)N3CCNCC3)S(=O)(=O)C4=CC5=C(C=C4)OCCN5C

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)N3CCNCC3)S(=O)(=O)C4=CC5=C(C=C4)OCCN5C

InChI

InChI=1S/C22H26N4O3S/c1-16-15-26(20-13-17(3-5-19(16)20)25-9-7-23-8-10-25)30(27,28)18-4-6-22-21(14-18)24(2)11-12-29-22/h3-6,13-15,23H,7-12H2,1-2H3