7-[6-(1,4-diazepan-1-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 7-[6-(1,4-diazepan-1-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 7-[6-(1,4-diazepan-1-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine CAS Name: 7-[[6-(1,4-diazepan-1-yl)-1-indolyl]sulfonyl]-4-methyl-2,3-dihydro-1,4-benzoxazine IUPAC Name: 7-[6-(1,4-diazepan-1-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 7-[6-(1,4-diazepan-1-yl)indol-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)N5CCCNCC5

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=C(C=C4)N5CCCNCC5

InChI

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