5-azanyl-N-butyl-9-(3-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide

Systemtic Name: 5-azanyl-N-butyl-9-(3-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-2,7,7-trimethyl-4-oxidanyl-9-oxidanylidene-nonanamide Openeye Name: 5-amino-N-butyl-9-(3-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-2,7,7-trimethyl-9-oxo-nonanamide CAS Name: 5-amino-N-butyl-9-(3-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-2,7,7-trimethyl-9-oxononanamide IUPAC Name: 5-amino-N-butyl-9-(3-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-2,7,7-trimethyl-9-oxononanamide Traditional Name: 5-amino-N-butyl-9-(3-esyl-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-9-keto-2,7,7-trimethyl-pelargonamide Formula: C27H45N3O5S MolecularWeight: 523.7283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=CC=CC=C21)S(=O)(=O)CC)N)O

Isomeric SMILES

CCCCNC(=O)C(C)CC(C(CC(C)(C)CC(=O)N1CC(CC2=CC=CC=C21)S(=O)(=O)CC)N)O

InChI

InChI=1S/C27H45N3O5S/c1-6-8-13-29-26(33)19(3)14-24(31)22(28)16-27(4,5)17-25(32)30-18-21(36(34,35)7-2)15-20-11-9-10-12-23(20)30/h9-12,19,21-22,24,31H,6-8,13-18,28H2,1-5H3,(H,29,33)