N-[(1R,2R)-1,2-bis(1-adamantyl)-2-azanyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-1,2-bis(1-adamantyl)-2-azanyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R)-1,2-bis(1-adamantyl)-2-amino-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R)-1,2-bis(1-adamantyl)-2-aminoethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R)-1,2-bis(1-adamantyl)-2-aminoethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R)-1,2-bis(1-adamantyl)-2-amino-ethyl]-4-methyl-benzenesulfonamide Formula: C29H42N2O2S MolecularWeight: 482.72098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C23CC4CC(C2)CC(C4)C3)N)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]([C@@H](C23CC4CC(C2)CC(C4)C3)N)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H42N2O2S/c1-18-2-4-25(5-3-18)34(32,33)31-27(29-15-22-9-23(16-29)11-24(10-22)17-29)26(30)28-12-19-6-20(13-28)8-21(7-19)14-28/h2-5,19-24,26-27,31H,6-17,30H2,1H3/t19?,20?,21?,22?,23?,24?,26-,27-,28?,29?/m0/s1