N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]quinoline-2-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]quinoline-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]quinoline-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-quinolinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]quinoline-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]quinaldamide Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O3S/c1-17-10-12-19(16-22(17)30(28,29)26-14-6-2-3-7-15-26)24-23(27)21-13-11-18-8-4-5-9-20(18)25-21/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,24,27)