[(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [(3R)-chroman-3-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [(3R)-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [(3R)-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [(3R)-chroman-3-yl]-(4-nosylpiperazino)methanone Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2CC3=CC=CC=C3OC2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c24-20(16-13-15-3-1-2-4-19(15)29-14-16)21-9-11-22(12-10-21)30(27,28)18-7-5-17(6-8-18)23(25)26/h1-8,16H,9-14H2/t16-/m1/s1