8-(azepan-1-ylsulfonyl)-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 8-(azepan-1-ylsulfonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 8-(azepan-1-ylsulfonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 8-(1-azepanylsulfonyl)-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 8-(azepan-1-ylsulfonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 8-(azepan-1-ylsulfonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H20N2O3S2/c22-19-15-13-14(26(23,24)21-11-5-1-2-6-12-21)9-10-17(15)25-18-8-4-3-7-16(18)20-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,20,22)