N-(4-methylsulfonyl-2-nitro-phenyl)-1-(3-phenylbutyl)piperidin-4-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-1-(3-phenylbutyl)piperidin-4-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-1-(3-phenylbutyl)piperidin-4-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-1-(3-phenylbutyl)-4-piperidinamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-1-(3-phenylbutyl)piperidin-4-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-[1-(3-phenylbutyl)-4-piperidyl]amine Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(CCN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4S/c1-17(18-6-4-3-5-7-18)10-13-24-14-11-19(12-15-24)23-21-9-8-20(30(2,28)29)16-22(21)25(26)27/h3-9,16-17,19,23H,10-15H2,1-2H3