N-[(1R)-1-(1-adamantyl)propyl]-4-chloranyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)propyl]-4-chloranyl-3-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-(1-adamantyl)propyl]-4-chloro-3-nitro-benzenesulfonamide CAS Name: N-[(1R)-1-(1-adamantyl)propyl]-4-chloro-3-nitrobenzenesulfonamide IUPAC Name: N-[(1R)-1-(1-adamantyl)propyl]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[(1R)-1-(1-adamantyl)propyl]-4-chloro-3-nitro-benzenesulfonamide Formula: C19H25ClN2O4S MolecularWeight: 412.9308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H25ClN2O4S/c1-2-18(19-9-12-5-13(10-19)7-14(6-12)11-19)21-27(25,26)15-3-4-16(20)17(8-15)22(23)24/h3-4,8,12-14,18,21H,2,5-7,9-11H2,1H3/t12?,13?,14?,18-,19?/m1/s1