3-(2-azanylethyl)-N-phenyl-1H-indole-5-sulfonamide; (E)-but-2-enedioic acid; hydrate

Systemtic Name: 3-(2-azanylethyl)-N-phenyl-1H-indole-5-sulfonamide; (E)-but-2-enedioic acid; hydrate Openeye Name: 3-(2-aminoethyl)-N-phenyl-1H-indole-5-sulfonamide; fumaric acid; hydrate CAS Name: 3-(2-aminoethyl)-N-phenyl-1H-indole-5-sulfonamide; (E)-2-butenedioic acid; hydrate IUPAC Name: 3-(2-aminoethyl)-N-phenyl-1H-indole-5-sulfonamide; (E)-but-2-enedioic acid; hydrate Traditional Name: 3-(2-aminoethyl)-N-phenyl-1H-indole-5-sulfonamide; fumaric acid; hydrate Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C3CCN.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C3CCN.C(=C/C(=O)O)\C(=O)O.O

InChI

InChI=1S/C16H17N3O2S.C4H4O4.H2O/c17-9-8-12-11-18-16-7-6-14(10-15(12)16)22(20,21)19-13-4-2-1-3-5-13;5-3(6)1-2-4(7)8;/h1-7,10-11,18-19H,8-9,17H2;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;