methyl 2-[(4-iodophenyl)sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoate

Systemtic Name: methyl 2-[(4-iodophenyl)sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoate Openeye Name: methyl 2-[(4-iodophenyl)sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoate CAS Name: 2-[(4-iodophenyl)sulfonylamino]-6-(1-pyrrolidinyl)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[(4-iodophenyl)sulfonylamino]-6-pyrrolidin-1-ylhex-4-ynoate Traditional Name: 2-[(4-iodophenyl)sulfonylamino]-6-pyrrolidino-hex-4-ynoic acid methyl ester Formula: C17H21IN2O4S MolecularWeight: 476.32911

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#CCN1CCCC1)NS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)C(CC#CCN1CCCC1)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C17H21IN2O4S/c1-24-17(21)16(6-2-3-11-20-12-4-5-13-20)19-25(22,23)15-9-7-14(18)8-10-15/h7-10,16,19H,4-6,11-13H2,1H3