[3-(azepan-1-ylsulfonyl)phenyl]-phenothiazin-10-yl-methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-phenothiazin-10-yl-methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-phenothiazin-10-yl-methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-(10-phenothiazinyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-phenothiazin-10-ylmethanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-phenothiazin-10-yl-methanone Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C25H24N2O3S2/c28-25(27-21-12-3-5-14-23(21)31-24-15-6-4-13-22(24)27)19-10-9-11-20(18-19)32(29,30)26-16-7-1-2-8-17-26/h3-6,9-15,18H,1-2,7-8,16-17H2