(2S)-3-(3-carbamimidoylphenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-N-methyl-propanamide

Systemtic Name: (2S)-3-(3-carbamimidoylphenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-N-methyl-propanamide Openeye Name: (2S)-3-(3-carbamimidoylphenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-N-methyl-propanamide CAS Name: (2S)-3-(3-carbamimidoylphenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-methylpropanamide IUPAC Name: (2S)-3-(3-carbamimidoylphenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-methylpropanamide Traditional Name: (2S)-3-(3-amidinophenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]-N-methyl-propionamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC(=C2)C(=N)N)C(=O)NC)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N[C@@H](CC2=CC=CC(=C2)C(=N)N)C(=O)NC)C)C)OC

InChI

InChI=1S/C21H28N4O4S/c1-12-9-18(29-5)13(2)14(3)19(12)30(27,28)25-17(21(26)24-4)11-15-7-6-8-16(10-15)20(22)23/h6-10,17,25H,11H2,1-5H3,(H3,22,23)(H,24,26)/t17-/m0/s1