N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[(3S)-2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl]propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[(3S)-2-keto-3,4-dihydro-1H-quinolin-3-yl]propionamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3CC4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CC[C@H]3CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C25H31N3O5S/c1-33-23-12-11-20(34(31,32)28-14-6-2-3-7-15-28)17-22(23)26-24(29)13-10-19-16-18-8-4-5-9-21(18)27-25(19)30/h4-5,8-9,11-12,17,19H,2-3,6-7,10,13-16H2,1H3,(H,26,29)(H,27,30)/t19-/m0/s1