N-[3-(diethylamino)propyl]-3-(phenylsulfonyl)pyrrolidine-1-carboxamide hydrate

Systemtic Name: N-[3-(diethylamino)propyl]-3-(phenylsulfonyl)pyrrolidine-1-carboxamide hydrate Openeye Name: 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]pyrrolidine-1-carboxamide hydrate CAS Name: 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]-1-pyrrolidinecarboxamide hydrate IUPAC Name: 3-(benzenesulfonyl)-N-[3-(diethylamino)propyl]pyrrolidine-1-carboxamide hydrate Traditional Name: 3-besyl-N-[3-(diethylamino)propyl]pyrrolidine-1-carboxamide hydrate Formula: C18H31N3O4S MolecularWeight: 385.52144

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)N1CCC(C1)S(=O)(=O)C2=CC=CC=C2.O

Isomeric SMILES

CCN(CC)CCCNC(=O)N1CCC(C1)S(=O)(=O)C2=CC=CC=C2.O

InChI

InChI=1S/C18H29N3O3S.H2O/c1-3-20(4-2)13-8-12-19-18(22)21-14-11-17(15-21)25(23,24)16-9-6-5-7-10-16;/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,19,22);1H2