[5-(tert-butylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate

Systemtic Name: [5-(tert-butylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate Openeye Name: [5-(tert-butylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate CAS Name: [5-(tert-butylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate IUPAC Name: [5-(tert-butylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate Traditional Name: [5-(tert-butylamino)-7-phenyl-2,3-dihydro-1H-1,4-diazepin-2-yl]methanesulfonate Formula: C16H22N3O3S- MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NCC(NC(=C1)C2=CC=CC=C2)CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=NCC(NC(=C1)C2=CC=CC=C2)CS(=O)(=O)[O-]

InChI

InChI=1S/C16H23N3O3S/c1-16(2,3)19-15-9-14(12-7-5-4-6-8-12)18-13(10-17-15)11-23(20,21)22/h4-9,13,18H,10-11H2,1-3H3,(H,17,19)(H,20,21,22)/p-1