N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H26N2O4S/c1-12-3-4-17(21(22)23)8-18(12)26(24,25)20-13(2)19-9-14-5-15(10-19)7-16(6-14)11-19/h3-4,8,13-16,20H,5-7,9-11H2,1-2H3/t13-,14?,15?,16?,19?/m1/s1