4-[[[4-(aminomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[4-(aminomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[4-(aminomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[4-(aminomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[4-(aminomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[4-(aminomethyl)-4-(3-methoxyphenyl)cyclohexyl]amino]methyl]benzenesulfonamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)NCC3=CC=C(C=C3)S(=O)(=O)N)CN

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)NCC3=CC=C(C=C3)S(=O)(=O)N)CN

InChI

InChI=1S/C21H29N3O3S/c1-27-19-4-2-3-17(13-19)21(15-22)11-9-18(10-12-21)24-14-16-5-7-20(8-6-16)28(23,25)26/h2-8,13,18,24H,9-12,14-15,22H2,1H3,(H2,23,25,26)