3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-nitrophenyl)sulfonyl-4-piperidyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-nitrophenyl)sulfonyl-4-piperidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-nitrophenyl)sulfonyl-4-piperidyl]methanone Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c25-21(22-12-9-16-5-1-2-6-18(16)15-22)17-10-13-23(14-11-17)30(28,29)20-8-4-3-7-19(20)24(26)27/h1-8,17H,9-15H2