[4-(aminomethyl)piperidin-1-yl]-[3,5-bis(dodecylsulfonyl)-2-nitro-phenyl]methanone

Systemtic Name: [4-(aminomethyl)piperidin-1-yl]-[3,5-bis(dodecylsulfonyl)-2-nitro-phenyl]methanone Openeye Name: [4-(aminomethyl)-1-piperidyl]-[3,5-bis(dodecylsulfonyl)-2-nitro-phenyl]methanone CAS Name: [4-(aminomethyl)-1-piperidinyl]-[3,5-bis(dodecylsulfonyl)-2-nitrophenyl]methanone IUPAC Name: [4-(aminomethyl)piperidin-1-yl]-[3,5-bis(dodecylsulfonyl)-2-nitrophenyl]methanone Traditional Name: [4-(aminomethyl)piperidino]-[3,5-bis(laurylsulfonyl)-2-nitro-phenyl]methanone Formula: C37H65N3O7S2 MolecularWeight: 728.0579

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C(=C1)C(=O)N2CCC(CC2)CN)[N+](=O)[O-])S(=O)(=O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C(=C1)C(=O)N2CCC(CC2)CN)[N+](=O)[O-])S(=O)(=O)CCCCCCCCCCCC

InChI

InChI=1S/C37H65N3O7S2/c1-3-5-7-9-11-13-15-17-19-21-27-48(44,45)33-29-34(37(41)39-25-23-32(31-38)24-26-39)36(40(42)43)35(30-33)49(46,47)28-22-20-18-16-14-12-10-8-6-4-2/h29-30,32H,3-28,31,38H2,1-2H3