[5-(ethylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid

Systemtic Name: [5-(ethylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid Openeye Name: [5-(ethylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid CAS Name: [5-(ethylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid IUPAC Name: [5-(ethylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid Traditional Name: [5-(ethylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NCC(NC(=C1)C2=CC=CC=C2)CS(=O)(=O)O

Isomeric SMILES

CCNC1=NCC(NC(=C1)C2=CC=CC=C2)CS(=O)(=O)O

InChI

InChI=1S/C14H19N3O3S/c1-2-15-14-8-13(11-6-4-3-5-7-11)17-12(9-16-14)10-21(18,19)20/h3-8,12,17H,2,9-10H2,1H3,(H,15,16)(H,18,19,20)