N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-9H-xanthene-9-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-9H-xanthene-9-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-9H-xanthene-9-carboxamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C27H28N2O4S/c1-19-14-15-20(18-25(19)34(31,32)29-16-8-2-3-9-17-29)28-27(30)26-21-10-4-6-12-23(21)33-24-13-7-5-11-22(24)26/h4-7,10-15,18,26H,2-3,8-9,16-17H2,1H3,(H,28,30)