(3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]sulfonyl-N,N-diethyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]sulfonyl-N,N-diethyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]sulfonyl-N,N-diethyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]sulfonyl-N,N-diethyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitrophenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-phenyl]sulfonyl-N,N-diethyl-nipecotamide Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H32N4O5S/c1-3-26(4-2)25(30)21-10-7-14-28(18-21)35(33,34)24-16-22(29(31)32)11-12-23(24)27-15-13-19-8-5-6-9-20(19)17-27/h5-6,8-9,11-12,16,21H,3-4,7,10,13-15,17-18H2,1-2H3/t21-/m0/s1