N-[(4R,6S)-10-methoxy-4-oxidanyl-tridec-12-yn-6-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(4R,6S)-10-methoxy-4-oxidanyl-tridec-12-yn-6-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1S)-1-[(2R)-2-hydroxypentyl]-5-methoxy-oct-7-ynyl]-2-nitro-benzenesulfonamide CAS Name: N-[(4R,6S)-4-hydroxy-10-methoxytridec-12-yn-6-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(4R,6S)-4-hydroxy-10-methoxytridec-12-yn-6-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S)-1-[(2R)-2-hydroxypentyl]-5-methoxy-oct-7-ynyl]-2-nitro-benzenesulfonamide Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(CCCC(CC#C)OC)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])O

Isomeric SMILES

CCC[C@H](C[C@H](CCCC(CC#C)OC)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])O

InChI

InChI=1S/C20H30N2O6S/c1-4-9-17(23)15-16(11-8-12-18(28-3)10-5-2)21-29(26,27)20-14-7-6-13-19(20)22(24)25/h2,6-7,13-14,16-18,21,23H,4,8-12,15H2,1,3H3/t16-,17+,18?/m0/s1