furan-2-yl-[4-[4-(prop-1-en-2-ylamino)phenyl]sulfonylpiperazin-1-yl]methanone hydrate

Systemtic Name: furan-2-yl-[4-[4-(prop-1-en-2-ylamino)phenyl]sulfonylpiperazin-1-yl]methanone hydrate Openeye Name: 2-furyl-[4-[4-(isopropenylamino)phenyl]sulfonylpiperazin-1-yl]methanone hydrate CAS Name: 2-furanyl-[4-[4-(1-methylethenylamino)phenyl]sulfonyl-1-piperazinyl]methanone hydrate IUPAC Name: furan-2-yl-[4-[4-(prop-1-en-2-ylamino)phenyl]sulfonylpiperazin-1-yl]methanone hydrate Traditional Name: 2-furyl-[4-[4-(isopropenylamino)phenyl]sulfonylpiperazino]methanone hydrate Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3.O

Isomeric SMILES

CC(=C)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CO3.O

InChI

InChI=1S/C18H21N3O4S.H2O/c1-14(2)19-15-5-7-16(8-6-15)26(23,24)21-11-9-20(10-12-21)18(22)17-4-3-13-25-17;/h3-8,13,19H,1,9-12H2,2H3;1H2