tert-butyl N-(3-carbamimidoylphenyl)-N-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl-propyl-amino]carbamate

Systemtic Name: tert-butyl N-(3-carbamimidoylphenyl)-N-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl-propyl-amino]carbamate Openeye Name: tert-butyl N-(3-carbamimidoylphenyl)-N-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl-propyl-amino]carbamate CAS Name: N-(3-carbamimidoylphenyl)-N-[[[4-(2-methylsulfonylphenyl)anilino]-oxomethyl]-propylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-carbamimidoylphenyl)-N-[[4-(2-methylsulfonylphenyl)phenyl]carbamoyl-propylamino]carbamate Traditional Name: N-(3-amidinophenyl)-N-[[4-(2-mesylphenyl)phenyl]carbamoyl-propyl-amino]carbamic acid tert-butyl ester Formula: C29H35N5O5S MolecularWeight: 565.6837

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)N(C3=CC=CC(=C3)C(=N)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)N(C3=CC=CC(=C3)C(=N)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H35N5O5S/c1-6-18-33(34(28(36)39-29(2,3)4)23-11-9-10-21(19-23)26(30)31)27(35)32-22-16-14-20(15-17-22)24-12-7-8-13-25(24)40(5,37)38/h7-17,19H,6,18H2,1-5H3,(H3,30,31)(H,32,35)