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

Systemtic Name: 6-chloranyl-4-isoquinolin-5-ylsulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine Openeye Name: 6-chloro-4-(5-isoquinolylsulfonyl)-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine CAS Name: 6-chloro-4-(5-isoquinolinylsulfonyl)-8-(1-piperazinyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 6-chloro-4-isoquinolin-5-ylsulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine Traditional Name: 6-chloro-4-(5-isoquinolylsulfonyl)-8-piperazino-2,3-dihydro-1,4-benzoxazine Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=CC3=C2OCCN3S(=O)(=O)C4=CC=CC5=C4C=CN=C5)Cl

Isomeric SMILES

C1CN(CCN1)C2=CC(=CC3=C2OCCN3S(=O)(=O)C4=CC=CC5=C4C=CN=C5)Cl

InChI

InChI=1S/C21H21ClN4O3S/c22-16-12-18(25-8-6-23-7-9-25)21-19(13-16)26(10-11-29-21)30(27,28)20-3-1-2-15-14-24-5-4-17(15)20/h1-5,12-14,23H,6-11H2