methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonyl-2-propan-2-ylsulfonyl-ethyl)indole-5-carboxylate

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonyl-2-propan-2-ylsulfonyl-ethyl)indole-5-carboxylate Openeye Name: methyl 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonyl-2-phenoxysulfonyl-ethyl)indole-5-carboxylate CAS Name: 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonyl-2-propan-2-ylsulfonylethyl)-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpropylamino)methyl]-1-(2-phenoxysulfonyl-2-propan-2-ylsulfonylethyl)indole-5-carboxylate Traditional Name: 3-[(isobutylamino)methyl]-1-(2-isopropylsulfonyl-2-phenoxysulfonyl-ethyl)indole-5-carboxylic acid methyl ester Formula: C26H34N2O7S2 MolecularWeight: 550.68736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CNCC1=CN(C2=C1C=C(C=C2)C(=O)OC)CC(S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O7S2/c1-18(2)14-27-15-21-16-28(24-12-11-20(13-23(21)24)26(29)34-5)17-25(36(30,31)19(3)4)37(32,33)35-22-9-7-6-8-10-22/h6-13,16,18-19,25,27H,14-15,17H2,1-5H3