cyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid

Systemtic Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid Openeye Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]butanedioic acid CAS Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]butanedioic acid IUPAC Name: cyclohexanamine; (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanedioic acid Traditional Name: cyclohexylamine; (2S)-2-(naphthionylamino)succinic acid Formula: C28H44N4O6S MolecularWeight: 564.73716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)O)C(=O)O.C1CCC(CC1)N.C1CCC(CC1)N

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O.C1CCC(CC1)N.C1CCC(CC1)N

InChI

InChI=1S/C16H18N2O6S.2C6H13N/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20;2*7-6-4-2-1-3-5-6/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22);2*6H,1-5,7H2/t12-;;/m0../s1