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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCC4=CC=CC=C4C3

InChI

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