N-[4-(azepan-1-ylsulfonyl)phenyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-9H-xanthene-9-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-9H-xanthene-9-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-9H-xanthene-9-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H26N2O4S/c29-26(25-21-9-3-5-11-23(21)32-24-12-6-4-10-22(24)25)27-19-13-15-20(16-14-19)33(30,31)28-17-7-1-2-8-18-28/h3-6,9-16,25H,1-2,7-8,17-18H2,(H,27,29)