4-methylsulfonyl-N1-[1-(3-phenylbutyl)piperidin-4-yl]benzene-1,2-diamine

Systemtic Name: 4-methylsulfonyl-N1-[1-(3-phenylbutyl)piperidin-4-yl]benzene-1,2-diamine Openeye Name: 4-methylsulfonyl-N1-[1-(3-phenylbutyl)-4-piperidyl]benzene-1,2-diamine CAS Name: 4-methylsulfonyl-N1-[1-(3-phenylbutyl)-4-piperidinyl]benzene-1,2-diamine IUPAC Name: 4-methylsulfonyl-1-N-[1-(3-phenylbutyl)piperidin-4-yl]benzene-1,2-diamine Traditional Name: (2-amino-4-mesyl-phenyl)-[1-(3-phenylbutyl)-4-piperidyl]amine Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)N)C3=CC=CC=C3

Isomeric SMILES

CC(CCN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)N)C3=CC=CC=C3

InChI

InChI=1S/C22H31N3O2S/c1-17(18-6-4-3-5-7-18)10-13-25-14-11-19(12-15-25)24-22-9-8-20(16-21(22)23)28(2,26)27/h3-9,16-17,19,24H,10-15,23H2,1-2H3