2,2-dimethyl-4-(prop-2-enoylamino)butane-1-sulfonic acid; 1-phenyl-N,N-bis(phenylmethyl)methanamine

Systemtic Name: 2,2-dimethyl-4-(prop-2-enoylamino)butane-1-sulfonic acid; 1-phenyl-N,N-bis(phenylmethyl)methanamine Openeye Name: N,N-dibenzyl-1-phenyl-methanamine; 2,2-dimethyl-4-(prop-2-enoylamino)butane-1-sulfonic acid CAS Name: 2,2-dimethyl-4-(1-oxoprop-2-enylamino)-1-butanesulfonic acid; 1-phenyl-N,N-bis(phenylmethyl)methanamine IUPAC Name: N,N-dibenzyl-1-phenylmethanamine; 2,2-dimethyl-4-(prop-2-enoylamino)butane-1-sulfonic acid Traditional Name: 4-acrylamido-2,2-dimethyl-butane-1-sulfonic acid; tribenzylamine Formula: C30H38N2O4S MolecularWeight: 522.69872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=O)C=C)CS(=O)(=O)O.C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(CCNC(=O)C=C)CS(=O)(=O)O.C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N.C9H17NO4S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-4-8(11)10-6-5-9(2,3)7-15(12,13)14/h1-15H,16-18H2;4H,1,5-7H2,2-3H3,(H,10,11)(H,12,13,14)