N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-cyclopropyl-cinchoninamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C26H29N3O4S/c1-33-25-13-12-19(34(31,32)29-14-6-2-3-7-15-29)16-24(25)28-26(30)21-17-23(18-10-11-18)27-22-9-5-4-8-20(21)22/h4-5,8-9,12-13,16-18H,2-3,6-7,10-11,14-15H2,1H3,(H,28,30)