4-[4-azanyl-2,3-bis(methylsulfonyl)phenyl]butyl-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]carbamic acid

Systemtic Name: 4-[4-azanyl-2,3-bis(methylsulfonyl)phenyl]butyl-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]carbamic acid Openeye Name: 4-[4-amino-2,3-bis(methylsulfonyl)phenyl]butyl-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]carbamic acid CAS Name: 4-[4-amino-2,3-bis(methylsulfonyl)phenyl]butyl-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]carbamic acid IUPAC Name: 4-[4-amino-2,3-bis(methylsulfonyl)phenyl]butyl-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]carbamic acid Traditional Name: 4-(4-amino-2,3-dimesyl-phenyl)butyl-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]carbamic acid Formula: C32H36N4O7S2 MolecularWeight: 652.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)N=C=O)CCN(CCCCC4=C(C(=C(C=C4)N)S(=O)(=O)C)S(=O)(=O)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)N=C=O)CCN(CCCCC4=C(C(=C(C=C4)N)S(=O)(=O)C)S(=O)(=O)C)C(=O)O)C

InChI

InChI=1S/C32H36N4O7S2/c1-20-15-21(2)17-23(16-20)29-25(26-18-24(34-19-37)9-11-28(26)35-29)12-14-36(32(38)39)13-6-5-7-22-8-10-27(33)31(45(4,42)43)30(22)44(3,40)41/h8-11,15-18,35H,5-7,12-14,33H2,1-4H3,(H,38,39)