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

Systemtic Name: methyl 3-[(2-methylpropylamino)methyl]-1-[2-(phenylsulfonyl)-2-propan-2-ylsulfonyl-ethyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-2-isopropylsulfonyl-ethyl]-3-[(isobutylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-[(2-methylpropylamino)methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-2-propan-2-ylsulfonylethyl]-3-[(2-methylpropylamino)methyl]indole-5-carboxylate Traditional Name: 1-(2-besyl-2-isopropylsulfonyl-ethyl)-3-[(isobutylamino)methyl]indole-5-carboxylic acid methyl ester Formula: C26H34N2O6S2 MolecularWeight: 534.68796

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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)C3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O6S2/c1-18(2)14-27-15-21-16-28(24-12-11-20(13-23(21)24)26(29)34-5)17-25(35(30,31)19(3)4)36(32,33)22-9-7-6-8-10-22/h6-13,16,18-19,25,27H,14-15,17H2,1-5H3