(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl-[(4-carbamimidoylphenyl)amino]-ethyl-(3-methoxy-4-phenylmethoxy-phenyl)azanium

Systemtic Name: (2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl-[(4-carbamimidoylphenyl)amino]-ethyl-(3-methoxy-4-phenylmethoxy-phenyl)azanium Openeye Name: (2-acetamido-4-methyl-thiazol-5-yl)sulfonyl-(4-benzyloxy-3-methoxy-phenyl)-(4-carbamimidoylanilino)-ethyl-ammonium CAS Name: (2-acetamido-4-methyl-5-thiazolyl)sulfonyl-(4-carbamimidoylanilino)-ethyl-(3-methoxy-4-phenylmethoxyphenyl)ammonium IUPAC Name: (2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl-(4-carbamimidoylanilino)-ethyl-(3-methoxy-4-phenylmethoxyphenyl)azanium Traditional Name: (2-acetamido-4-methyl-thiazol-5-yl)sulfonyl-(4-amidinoanilino)-(4-benzoxy-3-methoxy-phenyl)-ethyl-ammonium Formula: C29H33N6O5S2+ MolecularWeight: 609.73952

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)(NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=C(N=C(S4)NC(=O)C)C

Isomeric SMILES

CC[N+](C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)(NC3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=C(N=C(S4)NC(=O)C)C

InChI

InChI=1S/C29H32N6O5S2/c1-5-35(34-23-13-11-22(12-14-23)27(30)31,42(37,38)28-19(2)32-29(41-28)33-20(3)36)24-15-16-25(26(17-24)39-4)40-18-21-9-7-6-8-10-21/h6-17H,5,18H2,1-4H3,(H4-,30,31,32,33,34,36)/p+1