4-isoquinolin-5-ylsulfonyl-6-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-isoquinolin-5-ylsulfonyl-6-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-(5-isoquinolylsulfonyl)-6-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine CAS Name: 4-(5-isoquinolinylsulfonyl)-6-methyl-8-(1-piperazinyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-isoquinolin-5-ylsulfonyl-6-methyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-(5-isoquinolylsulfonyl)-6-methyl-8-piperazino-2,3-dihydro-1,4-benzoxazine Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(CCO2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)N5CCNCC5

Isomeric SMILES

CC1=CC(=C2C(=C1)N(CCO2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)N5CCNCC5

InChI

InChI=1S/C22H24N4O3S/c1-16-13-19(25-9-7-23-8-10-25)22-20(14-16)26(11-12-29-22)30(27,28)21-4-2-3-17-15-24-6-5-18(17)21/h2-6,13-15,23H,7-12H2,1H3