N1-(1-adamantyl)-4-(4-aminophenyl)sulfonyl-benzene-1,2-diamine

Systemtic Name: N1-(1-adamantyl)-4-(4-aminophenyl)sulfonyl-benzene-1,2-diamine Openeye Name: N1-(1-adamantyl)-4-(4-aminophenyl)sulfonyl-benzene-1,2-diamine CAS Name: N1-(1-adamantyl)-4-(4-aminophenyl)sulfonylbenzene-1,2-diamine IUPAC Name: 1-N-(1-adamantyl)-4-(4-aminophenyl)sulfonylbenzene-1,2-diamine Traditional Name: 1-adamantyl-(2-amino-4-sulfanilyl-phenyl)amine Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N)N

InChI

InChI=1S/C22H27N3O2S/c23-17-1-3-18(4-2-17)28(26,27)19-5-6-21(20(24)10-19)25-22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16,25H,7-9,11-13,23-24H2