9-chloranyl-N-methyl-8-morpholin-4-ylsulfonyl-benzo[b][1,4]benzothiazepin-6-amine

Systemtic Name: 9-chloranyl-N-methyl-8-morpholin-4-ylsulfonyl-benzo[b][1,4]benzothiazepin-6-amine Openeye Name: 9-chloro-N-methyl-8-morpholinosulfonyl-benzo[b][1,4]benzothiazepin-6-amine CAS Name: 9-chloro-N-methyl-8-(4-morpholinylsulfonyl)-6-benzo[b][1,4]benzothiazepinamine IUPAC Name: 9-chloro-N-methyl-8-morpholin-4-ylsulfonylbenzo[b][1,4]benzothiazepin-6-amine Traditional Name: (9-chloro-8-morpholinosulfonyl-benzo[b][1,4]benzothiazepin-6-yl)-methyl-amine Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=CC=CC=C2SC3=CC(=C(C=C31)S(=O)(=O)N4CCOCC4)Cl

Isomeric SMILES

CNC1=NC2=CC=CC=C2SC3=CC(=C(C=C31)S(=O)(=O)N4CCOCC4)Cl

InChI

InChI=1S/C18H18ClN3O3S2/c1-20-18-12-10-17(27(23,24)22-6-8-25-9-7-22)13(19)11-16(12)26-15-5-3-2-4-14(15)21-18/h2-5,10-11H,6-9H2,1H3,(H,20,21)