3-[[3-(2-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-2-oxidanyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[3-(2-azanylpiperidin-1-yl)sulfonyl-4-chloranyl-2-oxidanyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[(2-amino-1-piperidyl)sulfonyl]-4-chloro-2-hydroxy-anilino]-4-anilino-cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[(2-amino-1-piperidinyl)sulfonyl]-4-chloro-2-hydroxyanilino]-4-anilinocyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-(2-aminopiperidin-1-yl)sulfonyl-4-chloro-2-hydroxyanilino]-4-anilinocyclobut-3-ene-1,2-dione Traditional Name: 3-[3-(2-aminopiperidino)sulfonyl-4-chloro-2-hydroxy-anilino]-4-anilino-cyclobut-3-ene-1,2-quinone Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)N)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C(C1)N)S(=O)(=O)C2=C(C=CC(=C2O)NC3=C(C(=O)C3=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O5S/c22-13-9-10-14(18(27)21(13)32(30,31)26-11-5-4-8-15(26)23)25-17-16(19(28)20(17)29)24-12-6-2-1-3-7-12/h1-3,6-7,9-10,15,24-25,27H,4-5,8,11,23H2