ditert-butyl 2-carbamimidoyl-5-[2-[(4-methylsulfonylphenyl)carbonylamino]ethyl]indole-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-carbamimidoyl-5-[2-[(4-methylsulfonylphenyl)carbonylamino]ethyl]indole-1,3-dicarboxylate Openeye Name: ditert-butyl 2-carbamimidoyl-5-[2-[(4-methylsulfonylbenzoyl)amino]ethyl]indole-1,3-dicarboxylate CAS Name: 2-carbamimidoyl-5-[2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]ethyl]indole-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-carbamimidoyl-5-[2-[(4-methylsulfonylbenzoyl)amino]ethyl]indole-1,3-dicarboxylate Traditional Name: 2-amidino-5-[2-[(4-mesylbenzoyl)amino]ethyl]indole-1,3-dicarboxylic acid ditert-butyl ester Formula: C29H36N4O7S MolecularWeight: 584.68374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N(C2=C1C=C(C=C2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC(C)(C)C)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N(C2=C1C=C(C=C2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)OC(C)(C)C)C(=N)N

InChI

InChI=1S/C29H36N4O7S/c1-28(2,3)39-26(35)22-20-16-17(14-15-32-25(34)18-9-11-19(12-10-18)41(7,37)38)8-13-21(20)33(23(22)24(30)31)27(36)40-29(4,5)6/h8-13,16H,14-15H2,1-7H3,(H3,30,31)(H,32,34)