N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9H-xanthene-9-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9H-xanthene-9-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-9H-xanthene-9-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9H-xanthene-9-carboxamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H28N2O5S/c1-33-25-15-14-19(35(31,32)29-16-8-2-3-9-17-29)18-22(25)28-27(30)26-20-10-4-6-12-23(20)34-24-13-7-5-11-21(24)26/h4-7,10-15,18,26H,2-3,8-9,16-17H2,1H3,(H,28,30)