methyl 3-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidine-1-carbonyl]benzoate CAS Name: 3-[[(3S)-3-[(dimethylsulfamoylamino)methyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidine-1-carbonyl]benzoate Traditional Name: 3-[(3S)-3-[(dimethylsulfamoylamino)methyl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCC1CCCN(C1)C(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)NC[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C17H25N3O5S/c1-19(2)26(23,24)18-11-13-6-5-9-20(12-13)16(21)14-7-4-8-15(10-14)17(22)25-3/h4,7-8,10,13,18H,5-6,9,11-12H2,1-3H3/t13-/m1/s1